Geometry & MOs

Info

ID:	212484
PubChem CID:	81060691
Reduced:	OSN3C16H27 (1)
Stoich.:	ABC3D16E27 (1)
Weight, g/mol:	303.08639
ΔH_f, kcal/mol:	-37.77
Dipole, Da:	6.08
IP(EA), eV:	-8.54(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CCC(CC)N(CCOC)C1=C(C(=NC(=C1)C)C)C(=S)N

DOS

IR

Vibrations